200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 2166387-64-8
2166387-64-8 | BI-3812
CAS No: 2166387-64-8 Catalog No: AG01FNFN MDL No:
Product Description
Catalog Number:
AG01FNFN
Chemical Name:
BI-3812
CAS Number:
2166387-64-8
Molecular Formula:
C26H32ClN7O5
Molecular Weight:
558.0292
IUPAC Name:
1-[5-chloro-4-[[8-methoxy-1-methyl-3-[2-(methylamino)-2-oxoethoxy]-2-oxoquinolin-6-yl]amino]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide
InChI:
InChI=1S/C26H32ClN7O5/c1-28-21(35)14-39-20-11-16-10-17(12-19(38-5)22(16)33(4)25(20)37)30-23-18(27)13-29-26(31-23)34-8-6-15(7-9-34)24(36)32(2)3/h10-13,15H,6-9,14H2,1-5H3,(H,28,35)(H,29,30,31)
InChI Key:
XCGYXEVLQIIEJH-UHFFFAOYSA-N
SMILES:
CNC(=O)COc1cc2cc(Nc3nc(ncc3Cl)N3CCC(CC3)C(=O)N(C)C)cc(c2n(c1=O)C)OC
Properties
Complexity:
928
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
557.215g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
558.036g/mol
Monoisotopic Mass:
557.215g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.